CID 5273909

2,2-dihydroxy-1-(4-phenethylphenyl)ethanone

Structural Information

Molecular Formula
C16H16O3
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C(O)O
InChI
InChI=1S/C16H16O3/c17-15(16(18)19)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,16,18-19H,6-7H2
InChIKey
VXZPTMKGRFWDGX-UHFFFAOYSA-N
Compound name
2,2-dihydroxy-1-[4-(2-phenylethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.7
[M+Na]+ 279.09917 164.0
[M-H]- 255.10267 162.4
[M+NH4]+ 274.14377 173.6
[M+K]+ 295.07311 160.0
[M+H-H2O]+ 239.10721 151.5
[M+HCOO]- 301.10815 178.2
[M+CH3COO]- 315.12380 191.2
[M+Na-2H]- 277.08462 161.5
[M]+ 256.10940 157.4
[M]- 256.11050 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.